SCHEMBL9755064

SCHEMBL9755064

CS(=O)(=O)CCC(NS(C)(=O)=O)C(=O)NCC(CC1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCC1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.81
ECE1 P42892 4/20 0.81
ACE P12821 3/20 0.81
NPPA P01160 1/20 0.81
ITGB1 P05556 7/20 0.45
ITGA4 P13612 7/20 0.45
MMP1 P03956 3/20 0.40
ENPEP Q07075 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9755065 1.00 MME (0.81) MMEECE1ACENPPAITGB1
Sampatrilat SCHEMBL4567110 0.90 ECE1 (1.00) MMEECE1ACENPPAITGB1
Sampatrilat SCHEMBL7301333 0.90 ECE1 (1.00) MMEECE1ACENPPAITGB1
Sampatrilat SCHEMBL49066 0.90 ECE1 (1.00) MMEECE1ACENPPAITGB1
SCHEMBL7294367 0.85 ACE (0.91) MMEECE1ACENPPAMMP1
SCHEMBL7302883 0.80 MME (0.82) MMEECE1ACENPPAITGB1
SCHEMBL7302871 0.80 MME (0.82) MMEECE1ACENPPAITGB1
SCHEMBL7300557 0.79 MME (0.78) MMEECE1ACENPPAITGB1
SCHEMBL7294361 0.79 MME (0.80) MMEECE1ACENPPA
SCHEMBL6441043 0.78 ACE (0.81) MMEECE1ACENPPA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013054-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1991-09-05 WO disclosed